N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-phenylsulfanylpropanamide
Formula:C18H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-phenylsulfanylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-phenylsulfanylpropanamide |
| MolecularFormula | C18H17N3O2S |
| Smiles | N#CCOc1ccc(/C=N\NC(CCSc2ccccc2)=O)cc1 |
| InChI | InChI=1S/C18H17N3O2S/c19-11-12-23-16-8-6-15(7-9-16)14-20-21-18(22)10-13-24-17-4-2-1-3-5-17/h1-9,14H,10,12-13H2,(H,21,22) |
| InChIK | IFSJCGZESJBHEA-UHFFFAOYSA-N |
| TotalMolweight | 339.418 |
| Molweight | 339.418 |
| MonoisotopicMass | 339.104147 |
| CLogP | 3.4507 |
| CLogS | -4.999 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.47 |
| Relative PSA | 0.27772 |
| PolarSurfaceArea | 99.78 |
| Druglikeness | -0.088775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.79167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-phenylsulfanylpropanamide | 2 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-phenylsulfanylpropanamide
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